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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50402911'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50402911
PNG
(CHEMBL2204900)
Show SMILES COC1CN(C1)C(=O)c1c(NC(=O)CC(C)(C)C)sc2CCCCc12
Show InChI InChI=1S/C19H28N2O3S/c1-19(2,3)9-15(22)20-17-16(13-7-5-6-8-14(13)25-17)18(23)21-10-12(11-21)24-4/h12H,5-11H2,1-4H3,(H,20,22)
PDB

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PC cid
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Similars

Article
PubMed
n/an/an/an/a 3.97E+3n/an/an/an/a



Nycomed Pharma Pvt. Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human CB1 receptor after 4 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 22: 7314-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.087
BindingDB Entry DOI: 10.7270/Q2QR4Z9V
More data for this
Ligand-Target Pair